Group: Structural Biology Group TorVergata - with tag metadynamics [18 articles] Export

Recent papers posted by members of the Structural Biology Group TorVergata group with tag metadynamics

	Tracing the Entropy along a Reactive Pathway: The Energy As a Generalized Reaction Coordinate [My Copy] Journal of Chemical Theory and Computation, Vol. 5, No. 9. (8 September 2009), pp. 2193-2196. by Carine Michel, Alessandro Laio, Anne Milet posted to molecular_dynamics metadynamics free_energy entropy by A_Coletta_Thesis to the group Structural Biology Group TorVergata on 2009-09-15 12:05:20 as
	Equilibrium Free Energies from Nonequilibrium Metadynamics [My Copy] Physical Review Letters, Vol. 96, No. 9. (2006) by Giovanni Bussi, Alessandro Laio, Michele Parrinello posted to metadynamics molecular_dynamics by A_Coletta_Thesis to the group Structural Biology Group TorVergata on 2009-01-15 11:10:33 as
	Reconstructing the Density of States by History-Dependent Metadynamics [My Copy] Physical Review Letters, Vol. 92, No. 17. (29 April 2004), 170601. by Cristian Micheletti, Alessandro Laio, Michele Parrinello posted to metadynamics molecular_dynamics by A_Coletta_Thesis to the group Structural Biology Group TorVergata on 2009-01-15 11:08:37 as
	Efficient Exploration of Reactive Potential Energy Surfaces Using Car-Parrinello Molecular Dynamics [My Copy] Physical Review Letters, Vol. 90, No. 23. (June 2003), 238302. by M. Iannuzzi, A. Laio, M. Parrinello posted to ab-initio metadynamics molecular_dynamics by A_Coletta_Thesis to the group Structural Biology Group TorVergata on 2009-01-15 11:06:50 as along with 1 person and_ped10
	Well-Tempered Metadynamics: A Smoothly Converging and Tunable Free-Energy Method [My Copy] Physical Review Letters, Vol. 100, No. 2. (2008) by Alessandro Barducci, Giovanni Bussi, Michele Parrinello posted to metadynamics molecular_dynamics by A_Coletta_Thesis to the group Structural Biology Group TorVergata on 2009-01-15 11:03:20 as along with 1 person loison
	Free-Energy Landscape for β Hairpin Folding from Combined Parallel Tempering and Metadynamics [My Copy] Journal of the American Chemical Society, Vol. 128, No. 41. (1 October 2006), pp. 13435-13441. by Giovanni Bussi, Francesco L. Gervasio, Alessandro Laio, Michele Parrinello posted to folding metadynamics molecular_dynamics by A_Coletta_Thesis to the group Structural Biology Group TorVergata on 2009-01-15 10:54:09 as along with 1 person paddydu
	Metadynamics in Essential Coordinates: Free Energy Simulation of Conformational Changes [My Copy] J. Phys. Chem. B, Vol. 111, No. 12. (29 March 2007), pp. 3073-3076. by V. Spiwok, P. Lipovova, B. Kralova posted to metadynamics molecular_dynamics by A_Coletta_Thesis to the group Structural Biology Group TorVergata on 2009-01-15 10:50:05 as along with 2 people choonpeng AndreaColetta
	Assessing the Accuracy of Metadynamics [My Copy] J. Phys. Chem. B, Vol. 109, No. 14. (14 April 2005), pp. 6714-6721. by A. Laio, A. Rodriguez-Fortea, F. L. Gervasio, M. Ceccarelli, M. Parrinello posted to metadynamics by A_Coletta_Thesis to the group Structural Biology Group TorVergata on 2009-01-15 10:45:20 as along with 2 people loison AndreaColetta
	Predicting the Effect of a Point Mutation on a Protein Fold: The Villin and Advillin Headpieces and Their Pro62Ala Mutants [My Copy] Journal of Molecular Biology, Vol. 375, No. 2. (11 January 2008), pp. 460-470. by Stefano Piana, Alessandro Laio, Fabrizio Marinelli, et al.Marleen Van Troys, David Bourry, Christophe Ampe, José C. Martins posted to folding metadynamics molecular_dynamics nmr by A_Coletta_Thesis to the group Structural Biology Group TorVergata on 2009-01-15 10:39:32 as along with 2 people paddydu paulschlesinger
	Essential energy space random walk via energy space metadynamics method to accelerate molecular dynamics simulations [My Copy] The Journal of Chemical Physics, Vol. 127, No. 9. (2007) by Hongzhi Li, Donghong Min, Yusong Liu, Wei Yang posted to metadynamics by A_Coletta_Thesis to the group Structural Biology Group TorVergata on 2009-01-15 10:26:12 as
	From A to B in free energy space [My Copy] The Journal of Chemical Physics, Vol. 126, No. 5. (2007) by Davide Branduardi, Francesco L. Gervasio, Michele Parrinello posted to metadynamics by A_Coletta_Thesis to the group Structural Biology Group TorVergata on 2009-01-15 10:23:21 as along with 4 people loison ruvido kdesmond Diego_Prada
	Computation of free energy profiles with parallel adaptive dynamics [My Copy] The Journal of Chemical Physics, Vol. 126, No. 13. (2007) by Tony Lelièvre, Mathias Rousset, Gabriel Stoltz posted to metadynamics replica_exchange by A_Coletta_Thesis to the group Structural Biology Group TorVergata on 2009-01-15 10:21:00 as
	Atomistic Simulation of the DNA Helix−Coil Transition† [My Copy] The Journal of Physical Chemistry A, Vol. 111, No. 49. (1 December 2007), pp. 12349-12354. by Stefano Piana posted to dna folding metadynamics molecular_dynamics by A_Coletta_Thesis to the group Structural Biology Group TorVergata on 2009-01-14 16:09:51 as
	A Bias-Exchange Approach to Protein Folding [My Copy] The Journal of Physical Chemistry B, Vol. 111, No. 17. (1 May 2007), pp. 4553-4559. by Stefano Piana, Alessandro Laio posted to folding free-energy metadynamics molecular_dynamics by A_Coletta_Thesis to the group Structural Biology Group TorVergata on 2009-01-14 15:24:04 as
	Escaping free-energy minima. [My Copy] Proc Natl Acad Sci U S A, Vol. 99, No. 20. (October 2002), pp. 12562-12566. by A. Laio, M. Parrinello posted to coletta metadynamics by A_Coletta_Thesis to the group Structural Biology Group TorVergata on 2008-12-03 15:12:09 as
	Metadynamics in Essential Coordinates: Free Energy Simulation of Conformational Changes [My Copy] J. Phys. Chem. B, Vol. 111, No. 12. (March 2007), pp. 3073-3076. by V. Spiwok, P. Lipovova, B. Kralova posted to coletta metadynamics by A_Coletta_Thesis to the group Structural Biology Group TorVergata on 2008-12-03 15:12:09 as
	Flexible docking in solution using metadynamics. [My Copy] J Am Chem Soc, Vol. 127, No. 8. (March 2005), pp. 2600-2607. by F. L. Gervasio, A. Laio, M. Parrinello posted to coletta metadynamics molecular_dynamics by A_Coletta_Thesis to the group Structural Biology Group TorVergata on 2008-12-03 15:12:07 as
	CO escape from myoglobin with metadynamics simulations [My Copy] Proteins: Structure, Function, and Bioinformatics, Vol. 71, No. 3. (2008), pp. 1231-1236. by Matteo Ceccarelli, Roberto Anedda, Mariano Casu, Paolo Ruggerone posted to coletta metadynamics myoglobin by A_Coletta_Thesis to the group Structural Biology Group TorVergata on 2008-12-03 15:12:04 as

Note: You may cite this page as: http://www.citeulike.org/group/7862/tag/metadynamics

molecular_dynamics	21
folding	9
free-energy	6
water	5
actin	3
dna	3
free_energy	3
md_simulation	3
ab-initio	2
entropy	2
nmr	2
protein_ligand_binding	2
proteins	2
proton	2
replica_exchange	2
beta-hairpin	1
car-parrinello	1
conformation	1
docking	1
hb	1
ion	1
ions	1
ligands	1
md	1
methods	1
myoglobin	1
nemd	1
parallel	1
protein	1
protein_dynamics	1
protein_folding	1
tempering	1
umbrella_sampling	1

Group: Structural Biology Group TorVergata

Group: Structural Biology Group TorVergata - with tag metadynamics [18 articles] Export

Related Tags